5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C19H18N4O2 — CID 169288707

IUPAC5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1Cc1ccccc1
InChIInChI=1S/C19H18N4O2/c1-11-14(15-8-13(15)7-12-5-3-2-4-6-12)9-17(23-22-11)16-10-20-19(25)21-18(16)24/h2-6,9-10,13,15H,7-8H2,1H3,(H2,20,21,24,25)
InChIKeyNLBPJYPFWZUPFS-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.17
Rot. Bonds4

About 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 169288707) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID169288707
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1Cc1ccccc1
InChIInChI=1S/C19H18N4O2/c1-11-14(15-8-13(15)7-12-5-3-2-4-6-12)9-17(23-22-11)16-10-20-19(25)21-18(16)24/h2-6,9-10,13,15H,7-8H2,1H3,(H2,20,21,24,25)
InChIKeyNLBPJYPFWZUPFS-UHFFFAOYSA-N
XLogP2.17
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 169288707) is 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1Cc1ccccc1.
What is the InChIKey of 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is NLBPJYPFWZUPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-14(15-8-13(15)7-12-5-3-2-4-6-12)9-17(23-22-11)16-10-20-19(25)21-18(16)24/h2-6,9-10,13,15H,7-8H2,1H3,(H2,20,21,24,25).
What are the key properties of 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 169288707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).